methyl 5-(diethylcarbamoyl)-2-[(5,6-dimethyl-1,3-benzothiazol-2-yl)carbamothioylamino]-4-methyl-thiophene-3-carboxylate

Systemtic Name: methyl 5-(diethylcarbamoyl)-2-[(5,6-dimethyl-1,3-benzothiazol-2-yl)carbamothioylamino]-4-methyl-thiophene-3-carboxylate Openeye Name: methyl 5-(diethylcarbamoyl)-2-[(5,6-dimethyl-1,3-benzothiazol-2-yl)carbamothioylamino]-4-methyl-thiophene-3-carboxylate CAS Name: 5-[diethylamino(oxo)methyl]-2-[[[(5,6-dimethyl-1,3-benzothiazol-2-yl)amino]-sulfanylidenemethyl]amino]-4-methyl-3-thiophenecarboxylic acid methyl ester IUPAC Name: methyl 5-(diethylcarbamoyl)-2-[(5,6-dimethyl-1,3-benzothiazol-2-yl)carbamothioylamino]-4-methylthiophene-3-carboxylate Traditional Name: 5-(diethylcarbamoyl)-2-[(5,6-dimethyl-1,3-benzothiazol-2-yl)thiocarbamoylamino]-4-methyl-thiophene-3-carboxylic acid methyl ester Formula: C22H26N4O3S3 MolecularWeight: 490.66184

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Descriptors Computed from Structure

Canonical SMILES:

CCN(CC)C(=O)C1=C(C(=C(S1)NC(=S)NC2=NC3=C(S2)C=C(C(=C3)C)C)C(=O)OC)C

Isomeric SMILES

CCN(CC)C(=O)C1=C(C(=C(S1)NC(=S)NC2=NC3=C(S2)C=C(C(=C3)C)C)C(=O)OC)C

InChI

InChI=1S/C22H26N4O3S3/c1-7-26(8-2)19(27)17-13(5)16(20(28)29-6)18(32-17)24-21(30)25-22-23-14-9-11(3)12(4)10-15(14)31-22/h9-10H,7-8H2,1-6H3,(H2,23,24,25,30)